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Laurence Leherte
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2020 – today
- 2021
- [j17]Neha Tripathi, Laurence Leherte
, Daniel P. Vercauteren, Adèle D. Laurent
Structure-based identification of inhibitors disrupting the CD2-CD58 interactions. J. Comput. Aided Mol. Des. 35(3): 337-353 (2021)
2010 – 2019
- 2018
- [j16]Laurence Leherte
Investigating cyclic peptides inhibiting CD2-CD58 interactions through molecular dynamics and molecular docking methods. J. Comput. Aided Mol. Des. 32(11): 1295-1313 (2018) - 2016
- [j15]Pierre O. Hubin, Denis Jacquemin
Parameterization of the ReaxFF reactive force field for a proline-catalyzed aldol reaction. J. Comput. Chem. 37(29): 2564-2572 (2016) - 2011
- [j14]Laurence Leherte
Charge density distributions derived from smoothed electrostatic potential functions: design of protein reduced point charge models. J. Comput. Aided Mol. Des. 25(10): 913-930 (2011)
2000 – 2009
- 2008
- [j13]Laurence Leherte
Collective motions in protein structures: Applications of elastic network models built from electron density distributions. Comput. Phys. Commun. 179(1-3): 171-180 (2008) - [j12]Laurence Leherte
Collective motions of rigid fragments in protein structures from smoothed electron density distributions. J. Comput. Chem. 29(9): 1472-1489 (2008) - [j11]Julien Burton, Nathalie Meurice, Laurence Leherte
Can Descriptors of the Electron Density Distribution Help To Distinguish Functional Groups? J. Chem. Inf. Model. 48(10): 1974-1983 (2008) - 2006
- [j10]Laurence Leherte
Similarity measures based on Gaussian-type promolecular electron density models: Alignment of small rigid molecules. J. Comput. Chem. 27(15): 1800-1816 (2006) - 2005
- [j9]Laurence Leherte
Influence of conformation on the representation of small flexible molecules at low resolution: alignment of endothiapepsin ligands. J. Comput. Aided Mol. Des. 19(7): 525-549 (2005) - 2004
- [j8]John Binamé, Nathalie Meurice, Laurence Leherte
Use of Electron Density Critical Points as Chemical Function-Based Reduced Representations of Pharmacological Ligands. J. Chem. Inf. Model. 44(4): 1394-1401 (2004) - 2002
- [j7]Joachim Petit, Jure Zupan, Laurence Leherte
Application of a Kohonen Neural Network to the Analysis of Data Regarding the Alkylation of Toluene with Methanol Catalyzed by ZSM-5Type Zeolites. Comput. Chem. 26(6): 557-572 (2002) - 2001
- [j6]Laurent Dury, Thibaud Latour
A New Graph Descriptor for Molecules Containing Cycles. Application as Screening Criterion for Searching Molecular Structures within Large Databases of Organic Compounds. J. Chem. Inf. Comput. Sci. 41(6): 1437-1445 (2001) - 2000
- [j5]Laurence Leherte, Nathalie Meurice, Daniel P. Vercauteren:
Critical Point Representations of Electron Density Maps for the Comparison of Benzodiazepine-Type Ligands. J. Chem. Inf. Comput. Sci. 40(3): 816-832 (2000) - [c3]Laurent Dury, Laurence Leherte, Daniel P. Vercauteren:
Determination of Screening Descriptors for Chemical Reaction Databases. PKDD 2000: 388-394
1990 – 1999
- 1997
- [j4]Laurence Leherte, Janice I. Glasgow, Kim Baxter, Evan W. Steeg, Suzanne Fortier:
Analysis of Three-Dimensional Protein Images. J. Artif. Intell. Res. 7: 125-159 (1997) - [c2]M. Sullivan, Janice I. Glasgow, Evan W. Steeg, Laurence Leherte, Suzanne Fortier:
Protein Model Representation and Construction. ISMB 1997: 307-310 - [i1]Laurence Leherte, Janice I. Glasgow, Kim Baxter, Evan W. Steeg, Suzanne Fortier:
Analysis of Three-Dimensional Protein Images. CoRR cs.AI/9710101 (1997) - 1996
- [j3]Laurence Leherte, Thibaud Latour
Similarity and complementarity of molecular shapes: Applicability of a topological analysis approach. J. Comput. Aided Mol. Des. 10(1): 55-66 (1996) - 1994
- [j2]Laurence Leherte
Shape information from a critical point analysis of calculated electron density maps: Application to DNA-drug systems. J. Comput. Aided Mol. Des. 8(3): 257-272 (1994) - [c1]Laurence Leherte, Kim Baxter, Janice I. Glasgow, Suzanne Fortier:
Segmentation and Interpretation of 3D Protein Images. ISMB 1994: 261-268 - 1991
- [j1]Laurence Leherte
Study of the Water Behavior into a Ferrierite Zeolite by Molecular Dynamics Simulations. Comput. Chem. 15(3): 273-285 (1991)
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